CID 84696285

5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
C1COC2=C(O1)C=CC(=C2Br)F
InChI
InChI=1S/C8H6BrFO2/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2H,3-4H2
InChIKey
XESXMEWTTOZACV-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

231.95352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 140.3
[M+Na]+ 254.94274 144.5
[M+NH4]+ 249.98734 145.7
[M+K]+ 270.91668 144.4
[M-H]- 230.94624 142.7
[M+Na-2H]- 252.92819 142.6
[M]+ 231.95297 140.5
[M]- 231.95407 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe